Pevonedistat HydrochlorideProduct ingredient for Pevonedistat

Name
Pevonedistat Hydrochloride
Drug Entry
Pevonedistat

Pevonedistat has been used in trials studying the treatment of Lymphoma, Solid Tumors, Multiple Myeloma, Hodgkin Lymphoma, and Metastatic Melanoma, among others.

Accession Number
DBSALT002067
Structure
Synonyms
Not Available
UNII
28I8PCX76B
CAS Number
1160295-21-5
Weight
Average: 479.98
Monoisotopic: 479.1394032
Chemical Formula
C21H26ClN5O4S
InChI Key
HJKDNNXKYODZJI-BVMPOVDASA-N
InChI
InChI=1S/C21H25N5O4S.ClH/c22-31(28,29)30-11-14-9-15(10-19(14)27)26-8-7-17-20(23-12-24-21(17)26)25-18-6-5-13-3-1-2-4-16(13)18;/h1-4,7-8,12,14-15,18-19,27H,5-6,9-11H2,(H2,22,28,29)(H,23,24,25);1H/t14-,15+,18-,19-;/m0./s1
IUPAC Name
[(1S,2S,4R)-4-(4-{[(1S)-2,3-dihydro-1H-inden-1-yl]amino}-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-hydroxycyclopentyl]methyl sulfamate hydrochloride
SMILES
Cl.NS(=O)(=O)OC[C@@H]1C[C@H](C[C@@H]1O)N1C=CC2=C(N[C@H]3CCC4=CC=CC=C34)N=CN=C12
ChemSpider
28189697
ChEMBL
CHEMBL2364622
Predicted Properties
PropertyValueSource
Water Solubility0.136 mg/mLALOGPS
logP2.18ALOGPS
logP1.42Chemaxon
logS-3.5ALOGPS
pKa (Strongest Acidic)11.4Chemaxon
pKa (Strongest Basic)6.45Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area132.36 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity117.23 m3·mol-1Chemaxon
Polarizability46.53 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon